RJ2

1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine

Created:	2020-09-30
Last modified:	2021-05-26

Find Related PDB Entry
1 entries where RJ2 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	16

2D diagram of RJ2

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
Systematic Name (OpenEye OEToolkits)	1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
Formula	C₁₇ H₁₇ N₃ O
Molecular Weight	279.336
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4
Canonical SMILES	CACTVS	3.385	C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4
InChI	InChI	1.03	InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2
InChIKey	InChI	1.03	BRUNUGURQIJSRJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155920137

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.